SCHEMBL7683529

SCHEMBL7683529

COc1ccc(S(=O)(=O)N2CCNCC2C(=O)O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.56
MMP9 P14780 4/20 0.56
MMP13 P45452 4/20 0.56
MMP3 P08254 1/20 0.56
MMP7 P09237 1/20 0.56
HCRTR1 O43613 2/20 0.52
HCRTR2 O43614 2/20 0.52
KMT2A Q03164 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
APEX1 P27695 1/20 0.45
ADAM17 P78536 1/20 0.45
POLB P06746 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7683521 1.00 MMP1 (0.56) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7689816 0.84 FKBP1A (0.51) MMP1MMP9MMP13MMP3MMP7
Hydrochloric Acid SCHEMBL7349934 0.83 MMP1 (0.75) MMP1MMP9MMP13MMP3MMP7
SCHEMBL2706470 0.83 HCRTR1 (0.67) HCRTR1HCRTR2KMT2AGPBAR1TSHR
SCHEMBL2706467 0.83 HCRTR1 (0.67) HCRTR1HCRTR2KMT2AGPBAR1TSHR
SCHEMBL27583610 0.78 MMP1 (0.54) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7765009 0.76 MMP1 (0.58) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4581963 0.76 MMP13 (0.52) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7226993 0.75 ITGB1 (0.50) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7226992 0.75 ITGB1 (0.50) MMP1MMP9MMP13MMP3MMP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128269-A1 Substituted heterocyclic compounds for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-09-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020128269-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCG2 MMP1 3802/4885MMP9 2228/4885MMP13 3117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.